(2S)-2-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile

Systemtic Name: (2S)-2-[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile Openeye Name: (2S)-2-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]propanenitrile CAS Name: (2S)-2-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile IUPAC Name: (2S)-2-[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile Traditional Name: (2S)-2-[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]propionitrile Formula: C17H24BrNO MolecularWeight: 338.28256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)Br

Isomeric SMILES

C[C@@H](C#N)OC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)Br

InChI

InChI=1S/C17H24BrNO/c1-12(10-19)20-15-8-7-13(9-14(15)18)17(5,6)11-16(2,3)4/h7-9,12H,11H2,1-6H3/t12-/m0/s1